disodium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

• ChemBase ID: 107261
• Molecular Formular: C16H10N2Na2O8S2
• Molecular Mass: 468.36874
• Monoisotopic Mass: 467.96739585
• SMILES: [Na+].[Na+].Oc1cc(cc2c1c(O)c(/N=N/c1ccccc1)c(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H12N2O8S2.2Na/c19-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)18-17-10-4-2-1-3-5-10;;/h1-8,19-20H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
• InChIKey: GXEAXHYQKZAJGB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 4,5-dihydroxy-3-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate
• IUPAC Traditional name: dipotassium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 4,5-dihydroxy-3-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate
• Synonyms: AZOFUCHSIN; C.I. 16570; disodium 4,5-dihydroxy-3-phenylazoNaphthalene-2,7-disulphonate; 2-(Phenylazo)chromotropic acid disodium salt; Acid Red 29; Chromotrope 2R; 铬变素 2R

Database IDs

• CAS Number: 4197-07-3; 839148
• EC Number: 224-085-0
• MDL Number: MFCD00003955
• PubChem SID: 162093349; 24892586
• PubChem CID: 5359970
• Color Index Number: 16570

CALCULATED PROPERTIES

• Acid pKa: -3.0632744
• H Acceptors: 10
• H Donor: 2
• LogD (pH = 5.5): -1.6411681
• LogD (pH = 7.4): -2.124303
• Log P: -1.0383534
• Molar Refractivity: 99.7906 cm^3
• Polarizability: 39.40948 Å^3
• Polar Surface Area: 179.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 510 nm; λmax 530 nm (2nd)

Safety Information

• RTECS: QJ6418000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Grade: for microscopy (Hist.); indicator (for complexometry)
• Compostion: Dye content, ≥70%; Dye content, 75%
• Suitability: suitable for modified Gomori Trichrome stain
• Empirical Formula (Hill Notation): C16H10N2Na2O8S2

DETAILS

Sigma Aldrich - C3143

包装
25, 100 g in glass bottle

REFERENCES

• Indicator for complexometry.